Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C19H13BrO5/c1-24-16-8-12(14(20)9-17(16)25-2)19(23)13-7-15(21)10-5-3-4-6-11(10)18(13)22/h3-9H,1-2H3
SMILES	COc1cc(c(cc1OC)Br)C(=O)C1=CC(=O)c2c(C1=O)cccc2
InChI Key	LQLVWTVLQDYZPH-UHFFFAOYSA-N
Molecular Formula	C19H13BrO5
Exact Mass	401.208 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LQLVWTVLQDYZPH-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/LQLVWTVLQDYZPH-UHFFFAOYSA-N/CHMO0000563
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:14:40.199093
MetadataModified	2024-09-07T18:04:29.370082
MetadataPublished	2020-05-07

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146035843	PubChem
UYUFAY	CCDC
The data in this table is sourced from UniChem at EBI.